5-cyano-2-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: 5-cyano-2-[4-[4-(diphenylmethyl)piperazin-1-yl]butyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: 2-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5-cyano-4-oxo-1H-quinoline-3-carboxamide CAS Name: 5-cyano-2-[4-[4-(diphenylmethyl)-1-piperazinyl]butyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: 2-[4-(4-benzhydrylpiperazin-1-yl)butyl]-5-cyano-4-oxo-1H-quinoline-3-carboxamide Traditional Name: 2-[4-(4-benzhydrylpiperazino)butyl]-5-cyano-4-keto-1H-quinoline-3-carboxamide Formula: C32H33N5O2 MolecularWeight: 519.63672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2=C(C(=O)C3=C(C=CC=C3N2)C#N)C(=O)N)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCC2=C(C(=O)C3=C(C=CC=C3N2)C#N)C(=O)N)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H33N5O2/c33-22-25-14-9-16-26-28(25)31(38)29(32(34)39)27(35-26)15-7-8-17-36-18-20-37(21-19-36)30(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-6,9-14,16,30H,7-8,15,17-21H2,(H2,34,39)(H,35,38)